[Pw_forum] can someone help!

[george manyali]

hi everyone,
am using quantum esspresso to calculate cohesive energy of scandium.while
running the scf calcations for a free atom i got the following information
from the output file"the calculation stopped after 100 iteration,the scf has
not converged"
does any one know why scf calculation stops after 100 iterations even though
the system has not converged.how can the problem be solved?

Regards
George Manyali
Computational Physics group Chepkoilel campus,
Moi university-Kenya
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